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| Natura: | Artículo científico |
| Lingua: | en |
| Pubblicazione: |
Sociedad Mexicana de Física A.C.
2019
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| Accesso online: | https://www.redalyc.org/articulo.oa?id=57082922002 |
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Sommario:
- Role of the cut-off function for the ground state variational wavefunction of the hydrogen atom confined by a hard sphere R. A. Rojas N. Aquino Física, Astronomía y Matemáticas cut off function Confined hydrogen atom Dirichlet boundary conditions A variational treatment of the hydrogen atom in its ground state, enclosed by a hard spherical cavity of radius Rc, is developed by considering the ansatz wavefunction as the product of the free-atom 1s orbital times a cut-off function to satisfy the Dirichlet boundary condition imposed by the impenetrable confining sphere. Seven different expressions for the cut-off function are employed to evaluate the energy, the cusp condition, the Shannon entropy, hr −1 i, hri, hr 2 i, and the critical cage radius, as a function of Rc in each case. We investigate which of the proposed cut-off functions provides best agreement with available corresponding exact calculations for the above quantities. We find that most of these cut-off functions work better in certain regions of Rc, while others are identified to give bad results in general. The cut-off functions that give, on average, better results are of the form (1 − (r/Rc) n ), n = 1, 2, 3. 2019 artículo científico 0035-001X https://www.redalyc.org/articulo.oa?id=57082922002 en http://www.redalyc.org/revista.oa?id=570 Revista Mexicana de Física application/pdf Sociedad Mexicana de Física A.C. Revista Mexicana de Física (México) Num.2 Vol.65